Sugi Predict

Sugi Predict / Compounds / SCHEMBL12535751

SCHEMBL12535751

SCHEMBL12535751

Cc1ccc(NC(=O)c2ccnc(Cl)c2)c(C2CC[N+](O)(Cc3ccc(-c4ccc(F)cc4)cc3)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.40
▸ MAPK14 Q16539 1/20 0.38
▸ KCNJ6 P48051 1/20 0.37
▸ KCNJ3 P48549 1/20 0.37
▸ RAF1 P04049 2/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ MCHR1 Q99705 5/20 0.36
▸ MAPT P10636 1/20 0.35
▸ TAS1R3 Q7RTX0 2/20 0.35
▸ TAS1R1 Q7RTX1 2/20 0.35
▸ TAS1R2 Q8TE23 2/20 0.35
▸ HTR2C P28335 2/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ GPR6 P46095 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12535737 0.91 GSK3B (0.39) GSK3BMAPK14KCNJ6KCNJ3RAF1
SCHEMBL12153456 0.89 GSK3B (0.39) GSK3BMAPK14RAF1GSK3AMCHR1
SCHEMBL12535747 0.86 GSK3B (0.40) GSK3BMAPK14RAF1GSK3AMCHR1
SCHEMBL12535706 0.85 MCHR1 (0.47) GSK3BMCHR1HTR2CGPR6
SCHEMBL12153454 0.82 GSK3B (0.39) GSK3BMAPK14GSK3AMCHR1MAPT
SCHEMBL4402605 0.81 KCNJ6 (0.38) GSK3BMAPK14KCNJ6KCNJ3RAF1
SCHEMBL1726708 0.81 GSK3B (0.39) GSK3BMAPK14RAF1GSK3AMCHR1
SCHEMBL1727490 0.79 GSK3B (0.40) GSK3BMAPK14RAF1GSK3AMCHR1
Hydrochloric Acid SCHEMBL1725630 0.79 GSK3B (0.39) GSK3BMAPK14RAF1GSK3AMCHR1
SCHEMBL4402603 0.79 GPR6 (0.43) GSK3BMCHR1HTR2CGPR6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10034476-B2 Insecticidal phenyl-or pyridyl-piperdine compounds SYNGENTA PARTICIPATIONS AG (CH) 2018-07-31 — — US disclosed
US-20170347650-A1 INSECTICIDAL PHENYL-OR PYRIDYL-PIPERDINE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-07 — — US disclosed
US-9808006-B2 Insecticidal phenyl-or pyridyl-piperdine compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-11-07 — — US disclosed
US-8518971-B2 Insecticidal phenyl- or pyridyl-piperdine compounds SYNGENTA CROP PROTECTION, INC. (US) 2013-08-27 — — US disclosed
US-20110136866-A1 INSECTICIDAL PHENYL- OR PYRIDYL-PIPERDINE COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2011-06-09 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10034476-B2 Insecticidal phenyl-or pyridyl-piperdine compounds ACHE, CHRM1, CHRM2 GSK3B 4609/4885MAPK14 4149/4885KCNJ6 1583/4885
US-20110136866-A1 INSECTICIDAL PHENYL- OR PYRIDYL-PIPERDINE COMPOUNDS ACHE, CHRM1, CHRM2 GSK3B 4574/4885MAPK14 4045/4885KCNJ6 1555/4885
US-20170347650-A1 INSECTICIDAL PHENYL-OR PYRIDYL-PIPERDINE COMPOUNDS ACHE, CHRM1, CHRM2 GSK3B 4609/4885MAPK14 4149/4885KCNJ6 1583/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.